Accuracy
Cu(II)O4N2 (CUAMAC) r
3633 Cu(II)O4N2 (CUAMAC) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
UHF PM7
Cu(II)O4N2 (CUAMAC)
<Cu-O> <><> <Cu-N><N-Cu-O> GR=CCDC
Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.01959500 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.19994570 +1 92.0764460 +1 0.0000000 +0 2 1 0
N 1.99267600 +1 88.1654790 +1 -53.9374604 +1 1 2 3
N 2.03304743 +1 97.8012774 +1 92.4948244 +1 1 2 4
O 1.84741724 +1 97.6852067 +1 -172.3966611 +1 1 5 2
O 2.19993052 +1 93.7048141 +1 45.7393194 +1 6 1 4
C 1.23232440 +1 29.8150969 +1 -179.8895403 +1 7 6 1
C 1.49699296 +1 122.1702777 +1 -179.7722673 +1 8 7 6
H 2.51402451 +1 179.9965075 +1 -86.3566673 +1 2 1 3
H 1.77726099 +1 91.8265956 +1 113.4676980 +1 10 2 1
H 1.77760396 +1 90.7521430 +1 -59.5232611 +1 10 2 11
H 1.09763409 +1 111.2326986 +1 -29.5659555 +1 9 8 7
H 1.09844958 +1 110.3177885 +1 119.2305601 +1 9 8 13
H 1.09815529 +1 111.4802442 +1 119.0798167 +1 9 8 14
H 1.00778270 +1 117.7834861 +1 -75.3810713 +1 4 1 2
H 1.02457464 +1 108.7729481 +1 -122.9748109 +1 4 1 16
H 1.02846057 +1 107.6777629 +1 -116.0195967 +1 4 1 17
H 1.00559054 +1 119.8207715 +1 90.4830894 +1 5 1 2
H 1.02370072 +1 106.9482197 +1 122.3944977 +1 5 1 19
H 1.02973052 +1 106.7252837 +1 115.0717366 +1 5 1 20
C 1.24062868 +1 29.4069135 +1 -178.6019476 +1 3 2 1
C 1.09374846 +1 70.4151899 +1 30.1521736 +1 10 2 12